SCHEMBL4091379

SCHEMBL4091379

COC(CNc1cc(-c2ccnc(Cl)c2)nc(SC)n1)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.38
HRH4 Q9H3N8 7/20 0.37
ESR1 P03372 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
CYP3A4 P08684 1/20 0.33
ROCK1 Q13464 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
IDO1 P14902 1/20 0.33
S1PR1 P21453 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4084091 0.81 CDK2 (0.43) PTGDRHRH4MAPTLMNATP53
SCHEMBL4094456 0.81 HRH4 (0.34) HRH4ESR1AAK1CYP3A4ROCK1
SCHEMBL4084793 0.75 IDO1 (0.44) LMNAMAPK13MAPK12MAPK11MAPK14
SCHEMBL4084553 0.73 IDO1 (0.42) LMNATHRBMAPK13MAPK12MAPK11
SCHEMBL4084911 0.72 MAP3K12 (0.42) HRH4AAK1
SCHEMBL4090582 0.72 PTGDR (0.38) PTGDRHRH4MAPTLMNATP53
SCHEMBL28626108 0.69 PTGS2 (0.39) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL18956228 0.67 ESR1 (0.41) HRH4ESR1CYP3A4MEN1KMT2A
SCHEMBL25699611 0.63 PIK3C3 (0.48) MAPK13MAPK12MAPK11MAPK14
SCHEMBL27843897 0.62 DYRK1A (0.49) MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US disclosed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PTGDR 2529/4885HRH4 738/4885ESR1 2256/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PTGDR 2258/4885HRH4 790/4885ESR1 1998/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.